#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o1u n PHE 2 N 0.00 0.92 -3.36 0.00 3.72 -1.26 -4.70 117.46 112.79 1o1u n PHE 2 Ca 0.00 -0.61 0.02 0.00 -0.05 0.00 0.00 57.45 56.81 1o1u n PHE 2 Cb 0.00 -1.88 -0.03 0.00 -0.94 0.00 0.00 39.48 36.63 1o1u n PHE 2 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1o1u s THR 3 N 11.81 -0.75 0.00 4.37 2.01 -1.26 -1.49 115.64 130.32 1o1u s THR 3 Ca 0.73 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.73 1o1u s THR 3 Cb 0.04 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.55 1o1u s THR 3 CO 0.23 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.77 1o1u n GLY 4 N 5.32 1.48 3.91 4.40 0.00 -0.35 -4.96 105.19 114.98 1o1u n GLY 4 Ca -0.07 -1.24 -0.27 0.00 0.00 0.00 0.00 46.02 44.44 1o1u n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1o1u s LYS 5 N -1.97 3.54 0.28 1.61 -2.85 -1.26 -1.01 119.74 118.08 1o1u s LYS 5 Ca 0.00 0.13 -0.21 0.00 -1.00 0.00 0.00 55.97 54.89 1o1u s LYS 5 Cb 0.00 -2.42 0.03 0.00 -2.06 0.00 0.00 37.83 33.38 1o1u s LYS 5 CO 0.00 -0.14 0.75 -0.06 0.10 0.00 0.00 175.35 176.00 1o1u s PHE 6 N -2.66 -0.15 -0.06 1.78 0.08 0.37 -3.93 117.98 113.40 1o1u s PHE 6 Ca 0.46 -0.31 -0.20 0.00 0.12 0.00 0.00 56.93 57.00 1o1u s PHE 6 Cb -0.10 0.72 0.04 0.00 -0.57 0.00 0.00 43.02 43.11 1o1u s PHE 6 CO 0.43 -1.23 0.45 -1.83 -0.10 0.00 0.00 175.22 172.94 1o1u s GLU 7 N -3.69 0.75 0.49 0.44 -1.05 -0.77 -0.48 118.70 114.38 1o1u s GLU 7 Ca 0.12 0.14 -0.23 0.00 -0.15 0.00 0.00 54.97 54.85 1o1u s GLU 7 Cb -0.05 0.35 -0.06 0.00 -0.44 0.00 0.00 34.13 33.92 1o1u s GLU 7 CO 0.07 -0.20 1.29 1.41 0.95 0.00 0.00 175.26 178.79 1o1u s MET 8 N -0.91 3.48 0.38 -4.83 -2.45 0.64 -1.87 119.30 113.73 1o1u s MET 8 Ca -0.10 2.09 0.00 0.00 -1.25 0.00 0.00 55.69 56.44 1o1u s MET 8 Cb -0.03 -2.39 0.00 0.00 1.25 0.00 0.00 34.83 33.65 1o1u s MET 8 CO 0.05 -0.87 0.00 -1.91 1.05 0.00 0.00 175.02 173.33 1o1u n GLU 9 N -0.65 0.00 -2.49 4.11 2.13 -1.26 -4.45 120.64 118.03 1o1u n GLU 9 Ca 0.08 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 57.63 1o1u n GLU 9 Cb 0.46 0.00 0.01 0.00 0.27 0.00 0.00 31.44 32.18 1o1u n GLU 9 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1o1u s SER 10 N -3.10 6.03 -0.22 4.31 0.01 -1.26 -5.02 113.70 114.45 1o1u s SER 10 Ca 0.00 0.89 -0.28 0.00 1.31 0.00 0.00 55.95 57.87 1o1u s SER 10 Cb 0.00 -2.08 0.14 0.00 0.21 0.00 0.00 66.02 64.29 1o1u s SER 10 CO 0.00 -0.77 1.08 -0.70 0.41 0.00 0.00 173.24 173.26 1o1u s GLU 11 N -4.86 0.47 0.13 12.44 2.12 -1.26 -3.46 118.70 124.28 1o1u s GLU 11 Ca 0.50 0.25 -0.24 0.00 0.36 0.00 0.00 54.97 55.84 1o1u s GLU 11 Cb -0.10 0.22 0.07 0.00 0.26 0.00 0.00 34.13 34.58 1o1u s GLU 11 CO 0.46 -0.12 0.61 -1.59 -0.54 0.00 0.00 175.26 174.08 1o1u s LYS 12 N -0.65 1.25 -0.91 4.30 -2.85 -1.09 -4.92 119.74 114.87 1o1u s LYS 12 Ca 0.01 -0.38 0.00 0.00 -1.00 0.00 0.00 55.97 54.60 1o1u s LYS 12 Cb -0.02 0.58 0.00 0.00 -2.06 0.00 0.00 37.83 36.33 1o1u s LYS 12 CO -0.03 -0.53 0.00 0.09 0.10 0.00 0.00 175.35 174.98 1o1u n ASN 13 N -0.22 -3.13 -0.01 0.03 3.02 -1.26 -3.39 115.26 110.29 1o1u n ASN 13 Ca -0.17 0.25 -0.22 0.00 -0.03 0.00 0.00 54.58 54.41 1o1u n ASN 13 Cb 0.64 -2.79 -0.14 0.00 -0.61 0.00 0.00 39.78 36.89 1o1u n ASN 13 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 1o1u h TYR 14 N 0.00 0.40 0.04 3.10 -0.00 -1.91 -3.15 116.97 115.44 1o1u h TYR 14 Ca -0.23 -0.29 0.03 0.00 0.00 0.00 0.00 58.73 58.24 1o1u h TYR 14 Cb 1.02 -0.02 -0.05 0.00 0.00 0.00 0.00 36.73 37.68 1o1u h TYR 14 CO 0.60 1.72 -0.36 -0.44 -0.00 0.00 0.00 178.16 179.68 1o1u h ASP 15 N -0.15 -1.07 -0.07 0.10 3.32 -1.94 0.58 116.42 117.18 1o1u h ASP 15 Ca -0.40 0.13 -0.00 0.00 0.02 0.00 0.00 57.03 56.78 1o1u h ASP 15 Cb 1.88 0.42 -0.00 0.00 0.22 0.00 0.00 39.33 41.85 1o1u h ASP 15 CO 0.03 -0.42 0.04 -0.33 -1.72 0.00 0.00 179.24 176.83 1o1u h GLU 16 N -0.54 0.11 -1.06 3.56 5.08 -1.95 0.14 114.58 119.92 1o1u h GLU 16 Ca 0.05 -0.02 0.31 0.00 -1.00 0.00 0.00 59.36 58.70 1o1u h GLU 16 Cb 0.61 -0.02 -0.13 0.00 0.50 0.00 0.00 28.75 29.71 1o1u h GLU 16 CO -0.26 0.19 0.64 0.35 -1.00 0.00 0.00 179.01 178.93 1o1u h PHE 17 N -0.00 0.83 0.08 4.33 3.57 -1.40 0.16 116.94 124.51 1o1u h PHE 17 Ca 0.03 0.03 -0.25 0.00 3.53 0.00 0.00 57.97 61.30 1o1u h PHE 17 Cb 0.12 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.64 1o1u h PHE 17 CO -0.03 -0.07 -1.12 0.52 -2.23 0.00 0.00 178.31 175.37 1o1u h MET 18 N 0.36 0.30 -0.66 1.11 2.86 0.16 0.10 114.93 119.16 1o1u h MET 18 Ca 0.70 -0.43 -0.06 0.00 -2.06 0.00 0.00 59.70 57.85 1o1u h MET 18 Cb 1.67 0.15 -0.03 0.00 0.06 0.00 0.00 31.60 33.45 1o1u h MET 18 CO -0.48 1.16 0.17 1.57 1.06 0.00 0.00 176.91 180.39 1o1u h LYS 19 N 0.12 1.03 0.03 1.72 2.10 0.12 -0.52 116.57 121.17 1o1u h LYS 19 Ca -0.11 -0.23 -0.00 0.00 -2.00 0.00 0.00 60.65 58.31 1o1u h LYS 19 Cb 1.82 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 33.00 1o1u h LYS 19 CO 0.18 0.91 -0.01 -0.07 -2.00 0.00 0.00 179.45 178.45 1o1u h LEU 20 N 0.99 -0.04 -1.00 7.07 -0.00 -0.97 -3.27 115.31 118.09 1o1u h LEU 20 Ca 0.21 -0.39 0.13 0.00 -0.00 0.00 0.00 57.88 57.83 1o1u h LEU 20 Cb 0.33 0.01 -0.09 0.00 -0.00 0.00 0.00 40.66 40.91 1o1u h LEU 20 CO -0.00 0.38 0.62 0.25 -0.00 0.00 0.00 178.44 179.69 1o1u h LEU 21 N -0.46 0.89 0.00 1.67 5.85 -0.47 -3.46 115.31 119.33 1o1u h LEU 21 Ca -0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1o1u h LEU 21 Cb 0.43 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1o1u h LEU 21 CO 0.01 0.45 0.00 0.61 -0.34 0.00 0.00 178.44 179.16 1o1u n GLY 22 N -1.34 0.75 3.20 3.75 0.00 -0.23 -5.07 105.19 106.25 1o1u n GLY 22 Ca 0.20 -0.68 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 1o1u n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1o1u s ILE 23 N -0.75 0.91 0.05 -0.61 -1.09 -1.13 -4.88 121.20 113.69 1o1u s ILE 23 Ca 0.00 -1.91 -0.17 0.00 -2.23 0.00 0.00 60.65 56.34 1o1u s ILE 23 Cb 0.00 -1.66 -0.06 0.00 -1.58 0.00 0.00 42.46 39.16 1o1u s ILE 23 CO 0.00 -0.76 0.49 -0.55 -1.23 0.00 0.00 174.94 172.89 1o1u s SER 24 N -2.95 6.92 0.39 3.58 0.15 -1.26 -4.87 113.70 115.66 1o1u s SER 24 Ca 0.12 1.11 0.15 0.00 0.70 0.00 0.00 55.95 58.02 1o1u s SER 24 Cb 0.03 -2.30 0.99 0.00 -1.71 0.00 0.00 66.02 63.02 1o1u s SER 24 CO -0.02 0.28 1.83 0.77 1.20 0.00 0.00 173.24 177.30 1o1u h SER 25 N 4.48 0.51 -0.24 5.45 4.64 -2.00 -1.23 113.55 125.17 1o1u h SER 25 Ca -0.50 0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1o1u h SER 25 Cb 1.21 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 1o1u h SER 25 CO 0.63 0.20 0.14 -2.24 -0.87 0.00 0.00 176.83 174.68 1o1u h ASP 26 N 0.51 0.29 1.39 4.97 2.03 -1.99 -0.87 116.42 122.75 1o1u h ASP 26 Ca 0.51 -0.06 -0.04 0.00 -0.73 0.00 0.00 57.03 56.71 1o1u h ASP 26 Cb 1.11 -0.07 -0.01 0.00 -0.83 0.00 0.00 39.33 39.54 1o1u h ASP 26 CO -0.23 0.26 -0.18 -0.37 -1.03 0.00 0.00 179.24 177.68 1o1u h VAL 27 N 0.29 0.37 0.66 4.15 -1.51 -1.67 -0.93 116.25 117.60 1o1u h VAL 27 Ca 0.08 -1.24 -0.03 0.00 -1.23 0.00 0.00 66.70 64.28 1o1u h VAL 27 Cb 0.03 1.95 0.01 0.00 -2.13 0.00 0.00 31.29 31.14 1o1u h VAL 27 CO -0.02 0.18 -0.32 0.40 -1.23 0.00 0.00 177.57 176.59 1o1u h ILE 28 N 0.00 0.24 -0.53 7.19 2.04 -0.77 -1.22 117.51 124.46 1o1u h ILE 28 Ca -0.00 -0.23 0.08 0.00 1.00 0.00 0.00 64.86 65.71 1o1u h ILE 28 Cb 0.93 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 1o1u h ILE 28 CO 0.02 0.02 0.36 -0.33 0.00 0.00 0.00 178.15 178.22 1o1u h GLU 29 N -1.07 0.36 0.13 2.37 4.39 -1.06 -2.20 114.58 117.50 1o1u h GLU 29 Ca -0.09 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 1o1u h GLU 29 Cb 0.72 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1o1u h GLU 29 CO 0.15 0.24 -0.06 -0.22 -1.16 0.00 0.00 179.01 177.95 1o1u h LYS 30 N 0.37 -0.17 -0.91 2.33 3.64 -0.99 -2.94 116.57 117.90 1o1u h LYS 30 Ca 0.24 0.01 0.29 0.00 -1.27 0.00 0.00 60.65 59.93 1o1u h LYS 30 Cb 0.46 0.04 -0.17 0.00 -0.41 0.00 0.00 32.23 32.15 1o1u h LYS 30 CO -0.06 0.15 0.18 0.00 -2.27 0.00 0.00 179.45 177.44 1o1u n ALA 31 N -2.34 0.62 -0.03 5.00 0.00 -0.48 0.64 120.51 123.92 1o1u n ALA 31 Ca -0.09 0.96 -0.13 0.00 0.00 0.00 0.00 53.44 54.19 1o1u n ALA 31 Cb 0.21 -0.78 -0.08 0.00 0.00 0.00 0.00 19.45 18.80 1o1u n ALA 31 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1o1u h ARG 32 N 0.00 0.16 -1.84 0.00 2.43 -1.52 -3.01 114.38 110.60 1o1u h ARG 32 Ca 0.63 -0.07 -0.51 0.00 -0.81 0.00 0.00 59.98 59.22 1o1u h ARG 32 Cb 1.44 -0.01 -0.19 0.00 -0.42 0.00 0.00 29.97 30.80 1o1u h ARG 32 CO -0.80 0.51 0.50 -1.71 -1.51 0.00 0.00 179.97 176.96 1o1u n ASN 33 N -4.77 6.67 -3.55 -3.80 5.15 0.21 -4.83 115.26 110.34 1o1u n ASN 33 Ca -0.07 -3.29 -0.08 0.00 -0.60 0.00 0.00 54.58 50.54 1o1u n ASN 33 Cb 0.25 -1.16 -0.09 0.00 -0.53 0.00 0.00 39.78 38.25 1o1u n ASN 33 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 1o1u s PHE 34 N -2.14 -0.84 -1.27 1.20 5.36 -0.39 -4.92 117.98 114.99 1o1u s PHE 34 Ca 0.53 1.32 -0.12 0.00 -0.96 0.00 0.00 56.93 57.70 1o1u s PHE 34 Cb 0.37 0.23 0.15 0.00 -0.34 0.00 0.00 43.02 43.43 1o1u s PHE 34 CO -0.19 -0.57 1.72 1.63 -1.46 0.00 0.00 175.22 176.35 1o1u n LYS 35 N 5.38 3.42 -1.58 10.12 5.02 -1.26 -4.81 118.16 134.45 1o1u n LYS 35 Ca -0.07 -3.56 -0.56 0.00 -2.02 0.00 0.00 58.31 52.11 1o1u n LYS 35 Cb 0.50 -3.06 -0.07 0.00 -0.02 0.00 0.00 35.03 32.38 1o1u n LYS 35 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1o1u n ILE 36 N 4.28 0.03 -2.85 -0.18 2.08 -1.26 -4.39 119.36 117.07 1o1u n ILE 36 Ca 0.40 -0.00 -0.31 0.00 0.56 0.00 0.00 62.75 63.40 1o1u n ILE 36 Cb 0.40 -0.55 -0.04 0.00 -0.75 0.00 0.00 39.64 38.70 1o1u n ILE 36 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1o1u s VAL 37 N 0.70 4.75 -0.05 1.39 1.01 0.28 -0.26 120.40 128.22 1o1u s VAL 37 Ca 0.89 0.72 -0.03 0.00 0.00 0.00 0.00 61.98 63.56 1o1u s VAL 37 Cb -1.10 -3.72 0.02 0.00 0.00 0.00 0.00 36.38 31.58 1o1u s VAL 37 CO 0.54 -0.50 0.11 -0.89 0.00 0.00 0.00 175.10 174.36 1o1u s THR 38 N -2.35 -0.02 0.02 3.92 2.01 0.36 0.74 115.64 120.33 1o1u s THR 38 Ca 0.52 0.06 0.02 0.00 0.31 0.00 0.00 61.69 62.60 1o1u s THR 38 Cb -0.10 -0.17 -0.01 0.00 0.01 0.00 0.00 72.50 72.22 1o1u s THR 38 CO 0.30 0.03 -0.06 -1.61 -0.69 0.00 0.00 174.62 172.58 1o1u s GLU 39 N 0.42 0.45 0.02 4.92 2.02 -0.59 0.14 118.70 126.08 1o1u s GLU 39 Ca -0.03 -0.49 0.00 0.00 0.02 0.00 0.00 54.97 54.47 1o1u s GLU 39 Cb -0.04 -0.30 -0.02 0.00 0.10 0.00 0.00 34.13 33.87 1o1u s GLU 39 CO -0.02 0.07 -0.03 0.08 0.02 0.00 0.00 175.26 175.38 1o1u s VAL 40 N -0.83 0.13 -0.34 2.63 1.01 -0.18 -0.19 120.40 122.63 1o1u s VAL 40 Ca -0.05 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.24 1o1u s VAL 40 Cb -0.06 -0.24 0.14 0.00 0.00 0.00 0.00 36.38 36.22 1o1u s VAL 40 CO 0.00 -0.36 0.28 -1.58 0.00 0.00 0.00 175.10 173.45 1o1u s GLN 41 N -1.09 0.48 0.55 2.72 0.74 -1.18 -1.21 119.66 120.67 1o1u s GLN 41 Ca -0.11 -0.78 -0.21 0.00 0.05 0.00 0.00 55.36 54.31 1o1u s GLN 41 Cb -0.07 -0.92 -0.05 0.00 1.10 0.00 0.00 33.01 33.07 1o1u s GLN 41 CO -0.01 -1.14 1.27 -1.14 -0.55 0.00 0.00 175.29 173.73 1o1u s GLN 42 N 1.63 3.16 -0.40 1.67 -0.44 -0.56 -3.03 119.66 121.70 1o1u s GLN 42 Ca 0.14 2.02 0.09 0.00 -2.50 0.00 0.00 55.36 55.11 1o1u s GLN 42 Cb -0.17 -2.16 0.28 0.00 -1.64 0.00 0.00 33.01 29.32 1o1u s GLN 42 CO -0.13 -1.10 0.67 -3.47 0.50 0.00 0.00 175.29 171.75 1o1u n ASP 43 N -1.15 -0.22 0.00 6.67 2.03 -0.26 -4.91 116.55 118.71 1o1u n ASP 43 Ca 0.11 -2.93 0.00 0.00 0.52 0.00 0.00 54.79 52.49 1o1u n ASP 43 Cb 0.47 -0.14 0.00 0.00 -0.72 0.00 0.00 41.12 40.73 1o1u n ASP 43 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1o1u n GLY 44 N 1.06 -0.21 0.43 0.27 0.00 -1.26 -2.85 105.19 102.63 1o1u n GLY 44 Ca 0.20 -1.05 0.24 0.00 0.00 0.00 0.00 46.02 45.41 1o1u n GLY 44 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1o1u h GLN 45 N 0.00 0.30 -7.10 1.61 4.15 -1.98 -3.40 115.11 108.70 1o1u h GLN 45 Ca 0.00 -0.02 -0.46 0.00 0.77 0.00 0.00 58.65 58.94 1o1u h GLN 45 Cb 0.00 -0.07 0.01 0.00 0.21 0.00 0.00 27.48 27.63 1o1u h GLN 45 CO 0.00 0.20 0.36 0.34 -1.93 0.00 0.00 178.83 177.80 1o1u s ASP 46 N -5.37 6.59 0.26 -0.69 2.15 -1.13 -1.90 116.67 116.57 1o1u s ASP 46 Ca -0.08 1.75 0.06 0.00 0.43 0.00 0.00 52.55 54.71 1o1u s ASP 46 Cb 0.24 -2.54 -0.05 0.00 -0.30 0.00 0.00 42.92 40.27 1o1u s ASP 46 CO 0.79 -0.61 -0.05 -0.36 -0.17 0.00 0.00 175.17 174.78 1o1u s PHE 47 N -2.23 1.80 -0.42 -5.34 0.40 0.12 -1.10 117.98 111.21 1o1u s PHE 47 Ca 0.63 -0.76 0.03 0.00 -0.60 0.00 0.00 56.93 56.23 1o1u s PHE 47 Cb -0.12 -1.01 0.16 0.00 0.51 0.00 0.00 43.02 42.55 1o1u s PHE 47 CO 0.21 0.19 0.31 -0.08 0.70 0.00 0.00 175.22 176.54 1o1u s THR 48 N -3.14 0.56 0.67 0.64 -1.32 -1.17 -3.16 115.64 108.72 1o1u s THR 48 Ca 0.28 -2.49 -0.08 0.00 -1.21 0.00 0.00 61.69 58.19 1o1u s THR 48 Cb 0.04 -1.40 0.03 0.00 -1.51 0.00 0.00 72.50 69.66 1o1u s THR 48 CO 0.10 -1.12 1.00 0.86 -2.21 0.00 0.00 174.62 173.25 1o1u s TRP 49 N 0.26 3.14 0.03 9.09 -0.11 -1.20 -3.08 118.94 127.07 1o1u s TRP 49 Ca 0.27 0.67 -0.19 0.00 1.22 0.00 0.00 56.10 58.07 1o1u s TRP 49 Cb -0.07 -3.01 0.04 0.00 -1.50 0.00 0.00 33.47 28.92 1o1u s TRP 49 CO -0.12 -1.16 0.42 -1.12 -4.62 0.00 0.00 176.95 170.35 1o1u s SER 50 N -4.41 -0.30 -0.46 5.86 0.01 0.73 -3.22 113.70 111.92 1o1u s SER 50 Ca 0.57 0.07 0.03 0.00 1.31 0.00 0.00 55.95 57.93 1o1u s SER 50 Cb -0.11 0.42 0.15 0.00 0.21 0.00 0.00 66.02 66.69 1o1u s SER 50 CO 0.47 -0.63 0.31 -1.10 0.41 0.00 0.00 173.24 172.70 1o1u s GLN 51 N -2.20 1.22 0.48 12.44 -0.21 -0.20 -1.54 119.66 129.66 1o1u s GLN 51 Ca -0.07 -2.14 -0.19 0.00 0.02 0.00 0.00 55.36 52.98 1o1u s GLN 51 Cb -0.01 -2.02 -0.09 0.00 1.00 0.00 0.00 33.01 31.88 1o1u s GLN 51 CO -0.00 -1.27 0.98 -1.01 -2.12 0.00 0.00 175.29 171.86 1o1u s HIS 52 N 0.08 3.36 -0.02 0.91 3.76 0.23 -2.60 115.29 121.01 1o1u s HIS 52 Ca 0.24 1.53 -0.02 0.00 -0.15 0.00 0.00 55.06 56.67 1o1u s HIS 52 Cb -0.11 -2.84 -0.01 0.00 1.11 0.00 0.00 32.58 30.74 1o1u s HIS 52 CO -0.09 -0.30 -0.03 0.66 -0.85 0.00 0.00 174.74 174.12 1o1u n TYR 53 N -1.17 0.01 -2.71 1.40 4.02 -1.06 -0.55 117.16 117.09 1o1u n TYR 53 Ca 0.07 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.89 1o1u n TYR 53 Cb 0.54 -0.08 0.11 0.00 -0.02 0.00 0.00 39.34 39.89 1o1u n TYR 53 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1o1u n SER 54 N -2.66 -2.05 -3.29 7.72 2.88 -1.26 -4.41 113.62 110.56 1o1u n SER 54 Ca -0.01 -2.90 -0.16 0.00 -1.33 0.00 0.00 58.87 54.47 1o1u n SER 54 Cb 0.05 1.36 0.08 0.00 -0.75 0.00 0.00 64.21 64.95 1o1u n SER 54 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1o1u n GLY 55 N -0.23 -0.54 0.06 0.46 0.00 -1.26 -4.84 105.19 98.84 1o1u n GLY 55 Ca -0.00 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1o1u n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1o1u n GLY 56 N -1.16 -2.17 3.25 -0.02 0.00 -1.26 -4.98 105.19 98.85 1o1u n GLY 56 Ca -0.22 0.68 -0.41 0.00 0.00 0.00 0.00 46.02 46.07 1o1u n GLY 56 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1o1u n HIS 57 N -0.82 3.88 -2.59 1.61 -0.00 -1.26 -4.89 115.22 111.14 1o1u n HIS 57 Ca 0.00 -2.67 -0.42 0.00 -0.00 0.00 0.00 57.72 54.63 1o1u n HIS 57 Cb 0.00 -2.54 -0.03 0.00 -0.00 0.00 0.00 29.99 27.42 1o1u n HIS 57 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 1o1u s THR 58 N 4.60 3.92 0.41 3.57 2.01 -1.26 -2.57 115.64 126.33 1o1u s THR 58 Ca 0.53 0.66 -0.18 0.00 0.31 0.00 0.00 61.69 63.01 1o1u s THR 58 Cb 0.08 -4.79 -0.10 0.00 0.01 0.00 0.00 72.50 67.70 1o1u s THR 58 CO 0.03 -1.54 0.88 -0.32 -0.69 0.00 0.00 174.62 172.98 1o1u s MET 59 N 5.20 4.09 -0.00 4.92 0.00 -1.07 -4.95 119.30 127.48 1o1u s MET 59 Ca 0.39 0.91 -0.11 0.00 0.00 0.00 0.00 55.69 56.88 1o1u s MET 59 Cb -0.08 -2.27 0.01 0.00 0.00 0.00 0.00 34.83 32.50 1o1u s MET 59 CO 0.21 -0.01 0.22 0.99 0.00 0.00 0.00 175.02 176.43 1o1u s THR 60 N -2.20 0.07 -0.51 10.11 2.01 -1.26 -1.03 115.64 122.83 1o1u s THR 60 Ca 0.58 -0.61 0.06 0.00 0.31 0.00 0.00 61.69 62.03 1o1u s THR 60 Cb -0.10 -0.57 0.21 0.00 0.01 0.00 0.00 72.50 72.05 1o1u s THR 60 CO 0.18 -0.34 0.50 0.59 -0.69 0.00 0.00 174.62 174.87 1o1u n ASN 61 N 1.28 1.23 -4.79 3.53 4.13 -1.20 -4.49 115.26 114.95 1o1u n ASN 61 Ca -0.22 -2.84 -0.34 0.00 1.68 0.00 0.00 54.58 52.86 1o1u n ASN 61 Cb 0.56 -0.64 -0.03 0.00 -1.54 0.00 0.00 39.78 38.13 1o1u n ASN 61 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 1o1u s LYS 62 N -1.09 3.79 0.13 3.52 -2.85 -1.26 -3.22 119.74 118.76 1o1u s LYS 62 Ca 0.33 1.40 -0.25 0.00 -1.00 0.00 0.00 55.97 56.44 1o1u s LYS 62 Cb 0.08 -2.12 0.07 0.00 -2.06 0.00 0.00 37.83 33.80 1o1u s LYS 62 CO -0.13 -0.45 0.97 -0.59 0.10 0.00 0.00 175.35 175.26 1o1u s PHE 63 N -1.93 -0.14 -0.05 1.78 -0.12 -1.19 -4.82 117.98 111.51 1o1u s PHE 63 Ca 0.67 -0.15 0.03 0.00 -0.05 0.00 0.00 56.93 57.43 1o1u s PHE 63 Cb -0.17 0.63 0.01 0.00 -0.63 0.00 0.00 43.02 42.85 1o1u s PHE 63 CO 0.21 -0.78 -0.13 0.99 -0.05 0.00 0.00 175.22 175.46 1o1u s THR 64 N -3.23 1.12 0.19 -4.49 2.01 -1.26 -0.70 115.64 109.28 1o1u s THR 64 Ca 0.12 -0.51 -0.12 0.00 0.31 0.00 0.00 61.69 61.49 1o1u s THR 64 Cb -0.01 -1.00 -0.07 0.00 0.01 0.00 0.00 72.50 71.43 1o1u s THR 64 CO 0.01 0.34 0.55 0.68 -0.69 0.00 0.00 174.62 175.52 1o1u s VAL 65 N 0.39 4.89 -0.02 3.82 -7.23 -0.80 -3.22 120.40 118.23 1o1u s VAL 65 Ca -0.09 0.65 0.00 0.00 -1.81 0.00 0.00 61.98 60.73 1o1u s VAL 65 Cb -0.13 -3.67 0.00 0.00 0.56 0.00 0.00 36.38 33.14 1o1u s VAL 65 CO 0.02 0.07 0.00 0.61 -0.31 0.00 0.00 175.10 175.49 1o1u n GLY 66 N 0.29 0.20 0.00 2.32 0.00 0.93 -4.82 105.19 104.11 1o1u n GLY 66 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1o1u n GLY 66 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1o1u n LYS 67 N -0.51 -0.07 -1.49 1.61 4.81 -1.20 -5.08 118.16 116.23 1o1u n LYS 67 Ca -0.00 -0.13 0.00 0.00 -0.87 0.00 0.00 58.31 57.31 1o1u n LYS 67 Cb 0.32 -0.57 0.00 0.00 0.02 0.00 0.00 35.03 34.80 1o1u n LYS 67 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1o1u n GLU 68 N -0.01 -4.26 -3.50 1.64 2.13 -1.24 -4.98 120.64 110.42 1o1u n GLU 68 Ca 0.00 3.16 -0.11 0.00 0.66 0.00 0.00 57.16 60.87 1o1u n GLU 68 Cb 0.24 -3.54 -0.03 0.00 0.27 0.00 0.00 31.44 28.38 1o1u n GLU 68 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1o1u s SER 69 N -3.10 -0.44 0.36 4.31 0.01 -1.11 -4.70 113.70 109.03 1o1u s SER 69 Ca 0.00 0.16 -0.26 0.00 1.31 0.00 0.00 55.95 57.16 1o1u s SER 69 Cb 0.00 0.43 -0.09 0.00 0.21 0.00 0.00 66.02 66.57 1o1u s SER 69 CO 0.00 -0.64 1.06 0.54 0.41 0.00 0.00 173.24 174.61 1o1u s ASN 70 N -2.14 6.94 0.01 2.44 4.22 -1.26 -2.85 114.94 122.30 1o1u s ASN 70 Ca 0.01 2.10 0.00 0.00 -2.14 0.00 0.00 52.86 52.83 1o1u s ASN 70 Cb -0.01 -2.60 -0.01 0.00 1.28 0.00 0.00 41.25 39.91 1o1u s ASN 70 CO -0.06 -0.37 -0.02 -0.63 -2.04 0.00 0.00 177.10 173.99 1o1u s ILE 71 N -1.50 0.06 -0.05 0.54 1.01 -0.07 -4.87 121.20 116.31 1o1u s ILE 71 Ca 0.53 -0.45 0.07 0.00 0.00 0.00 0.00 60.65 60.79 1o1u s ILE 71 Cb -0.25 -0.14 -0.24 0.00 0.01 0.00 0.00 42.46 41.84 1o1u s ILE 71 CO 0.31 -0.25 0.63 0.06 0.00 0.00 0.00 174.94 175.70 1o1u h GLN 72 N 5.40 0.08 -0.92 2.79 3.07 -1.82 -1.47 115.11 122.26 1o1u h GLN 72 Ca -0.28 -0.14 0.10 0.00 0.09 0.00 0.00 58.65 58.41 1o1u h GLN 72 Cb 1.21 0.05 -0.04 0.00 0.08 0.00 0.00 27.48 28.78 1o1u h GLN 72 CO 0.46 0.73 -0.28 0.25 0.09 0.00 0.00 178.83 180.08 1o1u n THR 73 N -3.19 -0.10 0.10 1.86 -2.24 -1.26 -4.44 114.28 105.01 1o1u n THR 73 Ca -0.20 0.18 -0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1o1u n THR 73 Cb 1.05 -0.31 0.29 0.00 -2.10 0.00 0.00 70.33 69.25 1o1u n THR 73 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 1o1u h MET 74 N -0.38 0.25 -7.27 -0.78 0.00 -1.98 -3.43 114.93 101.34 1o1u h MET 74 Ca -0.04 -0.09 -0.51 0.00 0.00 0.00 0.00 59.70 59.06 1o1u h MET 74 Cb 0.37 -0.02 0.18 0.00 0.00 0.00 0.00 31.60 32.13 1o1u h MET 74 CO 0.02 0.52 0.23 0.20 0.00 0.00 0.00 176.91 177.88 1o1u s GLY 75 N -4.14 1.67 -0.07 8.32 0.00 -1.26 -4.95 107.32 106.89 1o1u s GLY 75 Ca -0.05 0.47 -0.22 0.00 0.00 0.00 0.00 44.72 44.92 1o1u s GLY 75 CO 0.76 0.89 0.85 -1.33 0.00 0.00 0.00 173.10 174.27 1o1u h GLY 76 N -1.78 -0.14 -2.90 0.20 0.00 -1.84 -3.45 103.07 93.16 1o1u h GLY 76 Ca -0.45 0.05 -0.58 0.00 0.00 0.00 0.00 47.33 46.36 1o1u h GLY 76 CO 0.44 -0.05 -0.20 0.58 0.00 0.00 0.00 176.54 177.31 1o1u n LYS 77 N -4.85 0.63 -3.27 4.80 0.00 -1.26 -4.98 118.16 109.23 1o1u n LYS 77 Ca -0.08 0.25 -0.28 0.00 -0.00 0.00 0.00 58.31 58.20 1o1u n LYS 77 Cb 0.28 -1.88 -0.03 0.00 -0.00 0.00 0.00 35.03 33.40 1o1u n LYS 77 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1o1u s THR 78 N -1.65 5.01 0.35 0.58 2.01 -1.26 -4.78 115.64 115.90 1o1u s THR 78 Ca 0.72 0.05 0.07 0.00 0.31 0.00 0.00 61.69 62.84 1o1u s THR 78 Cb -0.43 -3.75 -0.03 0.00 0.01 0.00 0.00 72.50 68.30 1o1u s THR 78 CO 0.51 -0.39 0.27 -0.36 -0.69 0.00 0.00 174.62 173.97 1o1u s PHE 79 N -2.16 1.80 0.04 4.92 0.40 -0.55 -5.03 117.98 117.40 1o1u s PHE 79 Ca 0.44 -1.65 0.03 0.00 -0.60 0.00 0.00 56.93 55.16 1o1u s PHE 79 Cb -0.11 -0.78 -0.02 0.00 0.51 0.00 0.00 43.02 42.62 1o1u s PHE 79 CO 0.31 -0.82 -0.10 0.21 0.70 0.00 0.00 175.22 175.52 1o1u s LYS 80 N -3.43 0.63 0.18 0.44 2.20 -1.26 -0.90 119.74 117.60 1o1u s LYS 80 Ca 0.39 -0.74 -0.19 0.00 -0.36 0.00 0.00 55.97 55.07 1o1u s LYS 80 Cb 0.02 -0.51 0.04 0.00 -1.51 0.00 0.00 37.83 35.87 1o1u s LYS 80 CO 0.27 0.11 0.52 0.00 -0.36 0.00 0.00 175.35 175.89 1o1u s ALA 81 N -1.15 -1.09 -0.62 3.13 0.00 -1.13 -4.26 121.76 116.64 1o1u s ALA 81 Ca -0.05 -0.04 -0.14 0.00 0.00 0.00 0.00 51.96 51.73 1o1u s ALA 81 Cb -0.09 0.83 0.16 0.00 0.00 0.00 0.00 23.12 24.02 1o1u s ALA 81 CO 0.01 -0.77 0.56 0.99 0.00 0.00 0.00 175.76 176.54 1o1u s THR 82 N -3.83 5.13 0.41 0.00 2.01 -1.22 -2.75 115.64 115.39 1o1u s THR 82 Ca 0.06 -1.89 -0.25 0.00 0.31 0.00 0.00 61.69 59.92 1o1u s THR 82 Cb -0.01 -4.26 -0.08 0.00 0.01 0.00 0.00 72.50 68.16 1o1u s THR 82 CO -0.07 -0.90 1.17 -0.69 -0.69 0.00 0.00 174.62 173.44 1o1u s VAL 83 N 1.07 3.13 0.30 3.82 1.01 -1.26 -3.98 120.40 124.49 1o1u s VAL 83 Ca 0.08 0.93 0.05 0.00 0.00 0.00 0.00 61.98 63.05 1o1u s VAL 83 Cb -0.23 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 1o1u s VAL 83 CO -0.01 0.07 0.23 -1.10 0.00 0.00 0.00 175.10 174.29 1o1u s GLN 84 N -2.36 1.61 0.29 2.72 -0.21 0.90 -0.05 119.66 122.57 1o1u s GLN 84 Ca 0.58 -1.92 0.02 0.00 0.02 0.00 0.00 55.36 54.07 1o1u s GLN 84 Cb -0.31 0.29 -0.05 0.00 1.00 0.00 0.00 33.01 33.94 1o1u s GLN 84 CO 0.38 -0.57 0.09 -1.64 -2.12 0.00 0.00 175.29 171.43 1o1u s MET 85 N -3.65 1.53 -0.49 2.91 -1.94 -1.26 -0.36 119.30 116.05 1o1u s MET 85 Ca 0.40 -1.85 0.06 0.00 -1.71 0.00 0.00 55.69 52.59 1o1u s MET 85 Cb 0.04 -0.47 0.24 0.00 2.01 0.00 0.00 34.83 36.64 1o1u s MET 85 CO 0.23 -0.28 0.89 -0.85 -0.01 0.00 0.00 175.02 175.00 1o1u n GLU 86 N -0.57 0.74 0.00 2.03 0.28 -0.15 -4.88 120.64 118.09 1o1u n GLU 86 Ca -0.01 -1.72 0.00 0.00 -0.16 0.00 0.00 57.16 55.27 1o1u n GLU 86 Cb 0.66 -1.43 0.00 0.00 1.43 0.00 0.00 31.44 32.10 1o1u n GLU 86 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1o1u n GLY 87 N 1.74 1.26 2.32 -1.84 0.00 -1.26 -3.75 105.19 103.66 1o1u n GLY 87 Ca 0.09 -0.66 -0.32 0.00 0.00 0.00 0.00 46.02 45.14 1o1u n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1o1u n GLY 88 N 0.00 6.01 3.31 -0.02 0.00 -1.26 -4.98 105.19 108.24 1o1u n GLY 88 Ca 0.00 -2.48 -0.13 0.00 0.00 0.00 0.00 46.02 43.41 1o1u n GLY 88 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1o1u s LYS 89 N -3.77 0.84 0.17 1.61 2.36 -1.25 -3.99 119.74 115.71 1o1u s LYS 89 Ca 0.58 -0.25 0.09 0.00 -2.55 0.00 0.00 55.97 53.84 1o1u s LYS 89 Cb 0.46 0.37 -0.04 0.00 -1.05 0.00 0.00 37.83 37.57 1o1u s LYS 89 CO -0.06 -0.26 -0.20 -1.17 1.55 0.00 0.00 175.35 175.20 1o1u s LEU 90 N -1.68 2.43 0.01 5.43 2.96 -0.13 -0.97 118.68 126.72 1o1u s LEU 90 Ca -0.09 -0.85 0.01 0.00 -0.22 0.00 0.00 54.13 52.98 1o1u s LEU 90 Cb -0.02 -0.95 -0.01 0.00 0.50 0.00 0.00 46.19 45.71 1o1u s LEU 90 CO 0.01 0.02 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.35 1o1u s VAL 91 N -1.87 0.20 0.07 1.68 1.01 0.52 -2.05 120.40 119.96 1o1u s VAL 91 Ca 0.17 -0.40 -0.20 0.00 0.00 0.00 0.00 61.98 61.55 1o1u s VAL 91 Cb -0.07 -0.23 0.05 0.00 0.00 0.00 0.00 36.38 36.13 1o1u s VAL 91 CO 0.08 -0.13 0.47 0.54 0.00 0.00 0.00 175.10 176.05 1o1u s VAL 92 N -0.54 0.04 -0.17 2.92 0.11 -0.01 -0.07 120.40 122.68 1o1u s VAL 92 Ca -0.04 -0.35 -0.05 0.00 -2.93 0.00 0.00 61.98 58.60 1o1u s VAL 92 Cb -0.04 -1.00 0.08 0.00 -1.53 0.00 0.00 36.38 33.89 1o1u s VAL 92 CO -0.00 -0.19 0.34 0.54 -3.33 0.00 0.00 175.10 172.45 1o1u s ASN 93 N -2.18 0.15 0.22 3.54 2.20 -1.26 -2.02 114.94 115.59 1o1u s ASN 93 Ca -0.03 0.68 0.07 0.00 -0.94 0.00 0.00 52.86 52.63 1o1u s ASN 93 Cb -0.00 0.99 -0.04 0.00 -2.00 0.00 0.00 41.25 40.20 1o1u s ASN 93 CO -0.04 -0.25 0.13 -0.36 -2.94 0.00 0.00 177.10 173.64 1o1u s PHE 94 N 2.51 3.04 -1.12 1.54 0.40 -0.67 -3.36 117.98 120.32 1o1u s PHE 94 Ca 0.01 -0.10 -0.18 0.00 -0.60 0.00 0.00 56.93 56.06 1o1u s PHE 94 Cb -0.13 -1.40 -0.06 0.00 0.51 0.00 0.00 43.02 41.95 1o1u s PHE 94 CO -0.11 0.53 2.05 -0.35 0.70 0.00 0.00 175.22 178.04 1o1u n PRO 95 N -0.80 2.18 0.00 0.24 -0.04 -1.26 -3.16 135.00 132.17 1o1u n PRO 95 Ca -0.08 -2.28 0.00 0.00 -0.04 0.00 0.00 63.50 61.10 1o1u n PRO 95 Cb 0.57 -3.15 0.00 0.00 -0.04 0.00 0.00 33.50 30.88 1o1u n PRO 95 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1o1u n ASN 96 N 7.27 0.00 -2.63 3.54 2.85 -1.26 -5.09 115.26 119.94 1o1u n ASN 96 Ca 0.50 0.00 -0.10 0.00 -0.11 0.00 0.00 54.58 54.88 1o1u n ASN 96 Cb 0.40 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.43 1o1u n ASN 96 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1o1u n TYR 97 N 0.00 -1.85 -4.10 1.20 4.11 -1.19 -4.91 117.16 110.41 1o1u n TYR 97 Ca 0.00 -1.80 -0.11 0.00 -0.00 0.00 0.00 57.90 55.99 1o1u n TYR 97 Cb 0.00 0.68 -0.11 0.00 -0.00 0.00 0.00 39.34 39.91 1o1u n TYR 97 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 1o1u s HIS 98 N -3.12 0.72 -0.02 -3.48 2.46 0.12 -1.66 115.29 110.31 1o1u s HIS 98 Ca 0.18 -0.73 -0.24 0.00 0.47 0.00 0.00 55.06 54.74 1o1u s HIS 98 Cb -0.03 -0.43 0.05 0.00 -0.13 0.00 0.00 32.58 32.04 1o1u s HIS 98 CO 0.14 -0.15 0.52 -1.14 -2.47 0.00 0.00 174.74 171.63 1o1u s GLN 99 N -2.76 0.92 -0.17 2.88 -0.44 -0.86 0.28 119.66 119.51 1o1u s GLN 99 Ca 0.01 0.00 -0.05 0.00 -2.50 0.00 0.00 55.36 52.82 1o1u s GLN 99 Cb -0.02 0.42 0.06 0.00 -1.64 0.00 0.00 33.01 31.83 1o1u s GLN 99 CO -0.03 -0.29 0.10 0.95 0.50 0.00 0.00 175.29 176.52 1o1u s THR 100 N -1.49 -0.11 0.61 -0.34 -4.23 -1.17 -0.83 115.64 108.09 1o1u s THR 100 Ca -0.11 -0.13 -0.07 0.00 -1.18 0.00 0.00 61.69 60.20 1o1u s THR 100 Cb -0.02 -0.55 0.00 0.00 1.34 0.00 0.00 72.50 73.27 1o1u s THR 100 CO 0.06 -0.25 0.94 -0.55 -0.54 0.00 0.00 174.62 174.28 1o1u s SER 101 N 2.15 5.67 -0.29 3.99 0.15 -0.87 -3.07 113.70 121.44 1o1u s SER 101 Ca 0.02 0.88 0.06 0.00 0.70 0.00 0.00 55.95 57.61 1o1u s SER 101 Cb -0.16 -1.86 0.20 0.00 -1.71 0.00 0.00 66.02 62.49 1o1u s SER 101 CO -0.09 -1.06 0.59 -0.70 1.20 0.00 0.00 173.24 173.18 1o1u s GLU 102 N -5.06 0.56 0.49 5.44 -6.30 -0.57 -0.95 118.70 112.31 1o1u s GLU 102 Ca 0.54 0.57 -0.23 0.00 -2.50 0.00 0.00 54.97 53.35 1o1u s GLU 102 Cb -0.11 0.26 -0.06 0.00 0.00 0.00 0.00 34.13 34.22 1o1u s GLU 102 CO 0.47 -1.03 1.26 0.42 0.02 0.00 0.00 175.26 176.40 1o1u s ILE 103 N 2.83 2.63 -0.53 -3.70 -1.09 -1.26 -2.95 121.20 117.13 1o1u s ILE 103 Ca 0.10 0.48 0.04 0.00 -2.23 0.00 0.00 60.65 59.04 1o1u s ILE 103 Cb -0.10 -3.25 0.16 0.00 -1.58 0.00 0.00 42.46 37.69 1o1u s ILE 103 CO -0.26 0.00 0.38 -0.69 -1.23 0.00 0.00 174.94 173.14 1o1u s VAL 104 N -1.42 1.53 0.00 2.92 1.01 -1.12 -4.95 120.40 118.37 1o1u s VAL 104 Ca 0.66 -3.24 0.00 0.00 0.00 0.00 0.00 61.98 59.41 1o1u s VAL 104 Cb -0.34 -2.03 0.00 0.00 0.00 0.00 0.00 36.38 34.01 1o1u s VAL 104 CO 0.42 -1.07 0.00 0.61 0.00 0.00 0.00 175.10 175.05 1o1u n GLY 105 N 2.68 0.47 2.59 4.51 0.00 -1.26 -2.25 105.19 111.93 1o1u n GLY 105 Ca 0.21 0.67 -0.22 0.00 0.00 0.00 0.00 46.02 46.68 1o1u n GLY 105 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1o1u n ASP 106 N 2.57 3.09 -3.86 1.61 9.92 -1.26 -4.57 116.55 124.05 1o1u n ASP 106 Ca 0.00 -3.36 -0.09 0.00 -0.53 0.00 0.00 54.79 50.81 1o1u n ASP 106 Cb 0.00 -0.55 -0.04 0.00 -0.64 0.00 0.00 41.12 39.89 1o1u n ASP 106 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1o1u s LYS 107 N -3.17 1.65 -0.08 -1.24 2.47 -0.95 -4.02 119.74 114.40 1o1u s LYS 107 Ca 0.43 -1.27 -0.03 0.00 -1.56 0.00 0.00 55.97 53.54 1o1u s LYS 107 Cb 0.36 0.49 0.04 0.00 -1.46 0.00 0.00 37.83 37.26 1o1u s LYS 107 CO -0.11 -0.70 0.09 -1.17 0.16 0.00 0.00 175.35 173.62 1o1u s LEU 108 N -3.03 0.14 0.28 5.43 2.96 -0.03 -2.79 118.68 121.64 1o1u s LEU 108 Ca 0.21 -0.04 0.11 0.00 -0.22 0.00 0.00 54.13 54.19 1o1u s LEU 108 Cb -0.02 -0.09 -0.05 0.00 0.50 0.00 0.00 46.19 46.54 1o1u s LEU 108 CO 0.10 -0.27 -0.17 0.68 -1.32 0.00 0.00 176.35 175.37 1o1u s VAL 109 N 2.19 2.27 0.05 1.68 -7.23 -1.15 0.66 120.40 118.87 1o1u s VAL 109 Ca 0.04 -2.33 -0.00 0.00 -1.81 0.00 0.00 61.98 57.88 1o1u s VAL 109 Cb -0.13 -2.31 -0.04 0.00 0.56 0.00 0.00 36.38 34.47 1o1u s VAL 109 CO -0.05 -0.40 -0.04 -1.61 -0.31 0.00 0.00 175.10 172.69 1o1u s GLU 110 N -3.56 0.57 -0.34 4.82 2.02 -0.34 -1.52 118.70 120.35 1o1u s GLU 110 Ca 0.29 -1.08 -0.01 0.00 0.02 0.00 0.00 54.97 54.20 1o1u s GLU 110 Cb -0.03 0.10 0.12 0.00 0.10 0.00 0.00 34.13 34.42 1o1u s GLU 110 CO 0.14 -0.08 0.16 0.08 0.02 0.00 0.00 175.26 175.58 1o1u s VAL 111 N -3.20 0.58 0.92 2.63 1.01 -1.18 -1.28 120.40 119.89 1o1u s VAL 111 Ca 0.02 -1.56 -0.14 0.00 0.00 0.00 0.00 61.98 60.30 1o1u s VAL 111 Cb 0.03 -1.44 0.15 0.00 0.00 0.00 0.00 36.38 35.12 1o1u s VAL 111 CO -0.07 -0.81 1.18 -0.55 0.00 0.00 0.00 175.10 174.86 1o1u s SER 112 N 1.34 3.43 -0.11 3.32 0.15 -0.88 -3.01 113.70 117.94 1o1u s SER 112 Ca 0.13 0.74 -0.30 0.00 0.70 0.00 0.00 55.95 57.22 1o1u s SER 112 Cb -0.20 -1.16 0.11 0.00 -1.71 0.00 0.00 66.02 63.06 1o1u s SER 112 CO -0.16 -2.58 0.89 -0.89 1.20 0.00 0.00 173.24 171.70 1o1u s THR 113 N -3.45 0.00 0.12 6.45 2.01 0.14 -2.90 115.64 118.01 1o1u s THR 113 Ca 0.66 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.66 1o1u s THR 113 Cb -0.11 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.40 1o1u s THR 113 CO 0.52 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 174.45 1o1u n ILE 114 N 0.68 0.00 -2.74 1.82 3.06 -1.10 0.11 119.36 121.20 1o1u n ILE 114 Ca -0.13 0.00 -0.08 0.00 -2.50 0.00 0.00 62.75 60.05 1o1u n ILE 114 Cb 0.58 -0.02 0.05 0.00 0.54 0.00 0.00 39.64 40.80 1o1u n ILE 114 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1o1u n GLY 115 N -1.40 -0.12 2.20 4.50 0.00 -1.26 -4.90 105.19 104.22 1o1u n GLY 115 Ca 0.00 0.22 -0.09 0.00 0.00 0.00 0.00 46.02 46.15 1o1u n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1o1u n GLY 116 N 1.61 0.33 3.18 -0.02 0.00 -1.26 -5.03 105.19 104.01 1o1u n GLY 116 Ca 0.08 -0.54 -0.12 0.00 0.00 0.00 0.00 46.02 45.44 1o1u n GLY 116 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1o1u s VAL 117 N -2.42 0.07 0.12 1.61 1.01 -1.26 -5.14 120.40 114.39 1o1u s VAL 117 Ca 0.00 -0.55 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 1o1u s VAL 117 Cb 0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.81 1o1u s VAL 117 CO 0.00 -0.30 0.03 -0.89 0.00 0.00 0.00 175.10 173.94 1o1u s THR 118 N -1.29 0.20 -0.36 3.92 2.01 -1.26 -2.70 115.64 116.16 1o1u s THR 118 Ca -0.14 -1.90 -0.00 0.00 0.31 0.00 0.00 61.69 59.96 1o1u s THR 118 Cb -0.06 -1.97 0.12 0.00 0.01 0.00 0.00 72.50 70.60 1o1u s THR 118 CO 0.03 -0.55 0.17 -0.47 -0.69 0.00 0.00 174.62 173.10 1o1u s TYR 119 N -3.97 1.47 0.39 4.92 5.04 -1.14 -4.47 117.35 119.59 1o1u s TYR 119 Ca 0.21 -1.85 -0.23 0.00 -2.44 0.00 0.00 57.07 52.76 1o1u s TYR 119 Cb 0.07 -1.54 -0.10 0.00 0.35 0.00 0.00 41.96 40.74 1o1u s TYR 119 CO 0.00 -0.83 0.98 -2.00 -1.34 0.00 0.00 175.55 172.35 1o1u s GLU 120 N 1.17 4.31 0.01 4.97 2.12 -1.22 -2.08 118.70 127.98 1o1u s GLU 120 Ca 0.14 1.30 -0.20 0.00 0.36 0.00 0.00 54.97 56.57 1o1u s GLU 120 Cb -0.21 -2.48 0.04 0.00 0.26 0.00 0.00 34.13 31.74 1o1u s GLU 120 CO -0.13 0.03 0.45 0.50 -0.54 0.00 0.00 175.26 175.56 1o1u s ARG 121 N -2.62 0.89 -0.43 4.30 3.00 -0.40 -2.66 118.95 121.03 1o1u s ARG 121 Ca 0.57 -0.17 0.03 0.00 -1.00 0.00 0.00 55.73 55.17 1o1u s ARG 121 Cb -0.16 0.40 0.16 0.00 0.00 0.00 0.00 34.95 35.35 1o1u s ARG 121 CO 0.21 -0.29 0.31 0.08 0.00 0.00 0.00 175.30 175.61 1o1u s VAL 122 N -1.86 0.66 -0.39 7.11 1.01 -1.22 -1.20 120.40 124.50 1o1u s VAL 122 Ca -0.09 -2.57 -0.28 0.00 0.00 0.00 0.00 61.98 59.03 1o1u s VAL 122 Cb -0.02 -1.47 -0.00 0.00 0.00 0.00 0.00 36.38 34.89 1o1u s VAL 122 CO 0.02 -1.12 1.57 -0.44 0.00 0.00 0.00 175.10 175.14 1o1u s SER 123 N 0.19 6.12 1.24 3.32 0.01 0.21 -3.99 113.70 120.80 1o1u s SER 123 Ca 0.27 0.97 -0.19 0.00 1.31 0.00 0.00 55.95 58.30 1o1u s SER 123 Cb -0.07 -2.53 0.30 0.00 0.21 0.00 0.00 66.02 63.93 1o1u s SER 123 CO -0.12 -1.58 1.06 -0.54 0.41 0.00 0.00 173.24 172.47 1o1u s LYS 124 N 5.31 -1.48 -0.94 12.44 3.01 -0.78 -0.85 119.74 136.44 1o1u s LYS 124 Ca 0.68 0.07 -0.02 0.00 -1.01 0.00 0.00 55.97 55.70 1o1u s LYS 124 Cb -0.17 -1.55 0.28 0.00 -1.01 0.00 0.00 37.83 35.38 1o1u s LYS 124 CO 0.32 -3.91 1.15 -2.13 0.51 0.00 0.00 175.35 171.29 1o1u n ARG 125 N -4.93 3.60 0.00 1.68 3.00 -1.26 -1.85 116.66 116.91 1o1u n ARG 125 Ca 0.12 -4.57 0.00 0.00 -0.00 0.00 0.00 57.85 53.40 1o1u n ARG 125 Cb 0.59 -2.43 0.00 0.00 0.00 0.00 0.00 32.46 30.62 1o1u n ARG 125 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 1o1u n LEU 126 N 1.49 0.00 0.00 6.15 -0.00 -1.25 -4.92 117.00 118.47 1o1u n LEU 126 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.27 1o1u n LEU 126 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.78 1o1u n LEU 126 CO 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.95